Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1a11bbc00ea473094c169deff8345cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.227,
"b": 54.254,
"c": 35.714,
"alpha": 90.00,
"beta": 95.37,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.560,1.40],
"number_observations_unique": 24845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 8109,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [35.560,7.660],
"number_observations": 1228,
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}